UK-447841 SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30ClNO4.Na
Molecular Weight	418.91
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[NaH].COCC[C@H](CC1(CCCC1)C(=O)NCCCC2=CC=C(Cl)C=C2)C(O)=O

InChI

InChIKey=VYVMJMTVGAQJOS-ZEECNFPPSA-N

InChI=1S/C21H30ClNO4.Na.H/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16;;/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25);;/t17-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H30ClNO4
Molecular Weight	395.92
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:18:25 GMT 2023` Edited by `admin` on `Sat Dec 16 11:18:25 GMT 2023`
Record UNII	4U6C6H4GK7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UK-447841 SODIUM

Code

English

(2S)-2-((1-(3-(4-CHLOROPHENYL)PROPYLCARBAMOYL)CYCLOPENTYL)METHYL)-4-METHOXY-BUTANOIC ACID SODIUM HYDRIDE

Systematic Name

English

CYCLOPENTANEPROPANOIC ACID, 1-(((3-(4-CHLOROPHENYL)PROPYL)AMINO)CARBONYL)-.ALPHA.-(2-METHOXYETHYL)-, SODIUM SALT (1:1), (.ALPHA.S)-

Systematic Name

English

SODIUM (2S)-2-((1-(((3-(4-CHLOROPHENYL)PROPYL)AMINO)CARBONYL)CYCLOPENTYL)METHYL)-4-METHOXYBUTANOATE

Systematic Name

English

Code System Code Type Description

FDA UNII

4U6C6H4GK7

Created by admin on Sat Dec 16 11:18:25 GMT 2023 , Edited by admin on Sat Dec 16 11:18:25 GMT 2023

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CAS

465529-13-9

Created by admin on Sat Dec 16 11:18:25 GMT 2023 , Edited by admin on Sat Dec 16 11:18:25 GMT 2023

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